Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22650314 | 0.80 | CYP3A4 (0.43) | CYP3A4ALDH1A1KDM4ECYP1A2MAOA | |
| SCHEMBL17791885 | 0.77 | GPR35 (0.47) | CYP3A4ALDH1A1KDM4ECYP1A2MAOA | |
| SCHEMBL11392013 | 0.77 | MAPK1 (0.57) | CYP3A4ALDH1A1KDM4ECYP1A2MAOA | |
| SCHEMBL21451551 | 0.73 | ALDH1A1 (0.41) | CYP3A4ALDH1A1KDM4ECYP1A2MAOA | |
| SCHEMBL26244515 | 0.73 | KDM4E (0.33) | CYP3A4ALDH1A1KDM4ECYP1A2MAOA | |
| SCHEMBL12302085 | 0.71 | CA1 (0.44) | CYP3A4ALDH1A1KDM4ECYP1A2MAOA | |
| SCHEMBL25763121 | 0.70 | — | — | |
| SCHEMBL20562778 | 0.70 | ALDH1A1 (0.42) | CYP3A4ALDH1A1KDM4ECYP1A2MAOA | |
| Trioxsalen SCHEMBL29432841 | 0.69 | KDM4E (1.00) | CYP3A4ALDH1A1KDM4ECYP1A2MAOA | |
| Trioxsalen SCHEMBL4954831 | 0.69 | KDM4E (1.00) | CYP3A4ALDH1A1KDM4ECYP1A2MAOA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12035546-B2 | Method for producing an electronic component which includes a self-assembled monolayer | MERCK PATENT GMBH (DE) | 2024-07-09 | — | — | US | disclosed |